4-(benzyloxy)-N-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}butanamide

• ChemBase ID: 515622
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: n12nc(cc1CNCC2)CNC(=O)CCCOCc1ccccc1
• Canonical SMILES: O=C(NCc1nn2c(c1)CNCC2)CCCOCc1ccccc1
• InChI: InChI=1S/C18H24N4O2/c23-18(7-4-10-24-14-15-5-2-1-3-6-15)20-12-16-11-17-13-19-8-9-22(17)21-16/h1-3,5-6,11,19H,4,7-10,12-14H2,(H,20,23)
• InChIKey: OWUMSWIOILBQPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-N-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}butanamide
• IUPAC Traditional name: 4-(benzyloxy)-N-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}butanamide
• Synonyms: 4-(benzyloxy)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.344897
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2848947
• LogD (pH = 7.4): 0.3834332
• Log P: 0.81004333
• Molar Refractivity: 104.0333 cm^3
• Polarizability: 35.912376 Å^3
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.1
• LOG S: -2.99
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 8